2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone

C14H28N2OS — CID 71911978

IUPAC2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCSCCC(C)N(C)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N2OS/c1-12-6-5-8-16(10-12)14(17)11-15(3)13(2)7-9-18-4/h12-13H,5-11H2,1-4H3
InChIKeyXZEJZKOCJAOZBG-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.32
Rot. Bonds6

About 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone

2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 71911978) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID71911978
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCSCCC(C)N(C)CC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N2OS/c1-12-6-5-8-16(10-12)14(17)11-15(3)13(2)7-9-18-4/h12-13H,5-11H2,1-4H3
InChIKeyXZEJZKOCJAOZBG-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55096796
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 87011135
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
methyl 2-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 60698117
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone (CID 71911978) is 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone is CSCCC(C)N(C)CC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is XZEJZKOCJAOZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-12-6-5-8-16(10-12)14(17)11-15(3)13(2)7-9-18-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 272.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71911978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).